Bioactive Compound Details

BioIDbio3248
NameBASIMGLURANT
ChEMBL IDCHEMBL3301626
Molecular FormulaC18H13ClFN3
Molecular Weight325.77
Molecular Weight (Monoisotopic)325.0782
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBASIMGLURANT|NOE-101|RG-7090|RG7090|RO-4917523|RO4917523|basimglurant
SmilesCc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
InchiInChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
Inchi KeyUPZWINBEAHDTLA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets19.0
Bioactivities56.0
Np Likeness Score-1.67
Records Key['BASIMGLURANT', '2', 'BASIMGLURANT', '7', 'BASIMGLURANT', 'Basimglurant', 'Basimglurant', 'Basimglurant', 'Basimglurant']
Records Name['BASIMGLURANT', '2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl)ethynyl)pyridine', 'BASIMGLURANT', '2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl)ethynyl)pyridine', 'BASIMGLURANT', 'Basimglurant', 'Basimglurant', 'Basimglurant', 'Basimglurant']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure